HRID105892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID34665

2-Amino-4-thiazoleacetic acid

C5H6N2O2S

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID84468

Trifluoroacetate

C2F3O2-

结构：NC1C(=O)N2C(C(=O)O)=C(C=C3CCN(Cc4cc[n+](CC(=O)Nc5ccc(O)cc5)cc4)C3=O)CSC12

HCID178508094

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(CC(=O)NC2C(=O)N3C(C(=O)[O-])=C(C=C4CCN(Cc5cc[n+](CC(=O)Nc6ccc(O)cc6)cc5)C4=O)CSC23)cs1

HCID178508414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb13f7ff54094fdaa878a7de7011e719
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[F:23][C:24]([F:25])([F:26])[C:27]([O-:28])=[O:29].[NH2:13][c:14]1[s:15][cH:16][c:17]([CH2:19][C:20](=[O:21])[OH:22])[n:18]1.[NH2:30][CH:31]1[CH:32]2[S:33][CH2:34][C:35]([CH:43]=[C:44]3[C:45](=[O:67])[N:46]([CH2:49][c:50]4[cH:51][cH:52][n+:53]([CH2:56][C:57]([NH:58][c:59]5[cH:60][cH:61][c:62]([OH:65])[cH:63][cH:64]5)=[O:66])[cH:54][cH:55]4)[CH2:47][CH2:48]3)=[C:36]([C:40](=[O:41])[OH:42])[N:37]2[C:38]1=[O:39]>>[NH2:13][c:14]1[s:15][cH:16][c:17]([CH2:19][C:20](=[O:22])[NH:30][CH:31]2[CH:32]3[S:33][CH2:34][C:35]([CH:43]=[C:44]4[C:45](=[O:67])[N:46]([CH2:49][c:50]5[cH:51][cH:52][n+:53]([CH2:56][C:57]([NH:58][c:59]6[cH:60][cH:61][c:62]([OH:65])[cH:63][cH:64]6)=[O:66])[cH:54][cH:55]5)[CH2:47][CH2:48]4)=[C:36]([C:40](=[O:41])[O-:42])[N:37]3[C:38]2=[O:39])[n:18]1